8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid

C19H16O3 — CID 118562139

IUPAC8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
SMILESCc1cccc2c(OCc3ccccc3)cc(C(=O)O)cc12
InChIInChI=1S/C19H16O3/c1-13-6-5-9-16-17(13)10-15(19(20)21)11-18(16)22-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21)
InChIKeyJCRPWONFCIOOTF-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.43
Rot. Bonds4

About 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid

8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid (PubChem CID 118562139) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
PubChem CID118562139
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
SMILESCc1cccc2c(OCc3ccccc3)cc(C(=O)O)cc12
InChIInChI=1S/C19H16O3/c1-13-6-5-9-16-17(13)10-15(19(20)21)11-18(16)22-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21)
InChIKeyJCRPWONFCIOOTF-UHFFFAOYSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
4-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-8-phenylmethoxynaphthalene-2-carboxylic acid
CID 20597928
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid (CID 118562139) is 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid is Cc1cccc2c(OCc3ccccc3)cc(C(=O)O)cc12.
What is the InChIKey of 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid?
The InChIKey is JCRPWONFCIOOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-13-6-5-9-16-17(13)10-15(19(20)21)11-18(16)22-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid?
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 118562139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).